Geometry & MOs

Info

ID:

112412

PubChem CID:

50406252

Reduced:

FO4N5C37H44 (1)

Stoich.:

AB4C5D37E44 (1)

Weight, g/mol:

674.298346

ΔHf, kcal/mol:

-176.73

Dipole, Da:

5.98

IP(EA), eV:

 -8.77(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-[(2-chlorobenzoyl)amino]anilino]-2-oxoethyl]-1-[1-[3-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC(C)C4=CC=CC=C4)C(=O)NCC5=CC=C(C=C5)F

DOS

IR

Vibrations